SCHEMBL12626946

SCHEMBL12626946

CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(Cc2ccccc2)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.53
▸ HCRTR2 O43614 2/20 0.53
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12626027 0.95 ALDH1A1 (0.49) HCRTR1HCRTR2LMNAALDH1A1TSHR
SCHEMBL13035959 0.89 HCRTR1 (0.58) HCRTR1HCRTR2ALDH1A1TSHRL3MBTL1
SCHEMBL15426005 0.87 HCRTR1 (0.52) HCRTR1HCRTR2ALDH1A1TSHRL3MBTL1
SCHEMBL12623977 0.87 HCRTR1 (0.51) HCRTR1HCRTR2LMNAALDH1A1L3MBTL1
SCHEMBL12623975 0.85 ALDH1A1 (0.51) HCRTR1HCRTR2LMNAALDH1A1L3MBTL1
SCHEMBL12626158 0.85 LMNA (0.61) LMNAALDH1A1TSHRL3MBTL1
SCHEMBL12623974 0.83 ALDH1A1 (0.48) HCRTR1HCRTR2LMNAALDH1A1L3MBTL1
SCHEMBL12622076 0.82 L3MBTL1 (0.52) HCRTR1HCRTR2ALDH1A1TSHRL3MBTL1
SCHEMBL12621830 0.82 ALDH1A1 (0.59) HCRTR1HCRTR2LMNAALDH1A1TSHR
SCHEMBL12623948 0.82 LMNA (0.57) HCRTR1HCRTR2LMNAALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918587-B1 Filamin A binding compounds and their use as anti-inflammatory and analgesic agents PAIN THERAPEUTICS INC (US) 2018-04-04 — — EP disclosed
EP-2488177-B1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS INC (US) 2016-10-12 — — EP disclosed
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 — — US disclosed
US-9340558-B2 Filamin a binding anti-inflammatory and analgesic PAIN THERAPEUTICS INC. (US) 2016-05-17 — — US disclosed
EP-2918587-A2 Filamin a binding anti-inflammatory and analgesic Pain Therapeutics, Inc. (US) 2015-09-16 — — EP disclosed
US-8653068-B2 Filamin A binding anti-inflammatory and analgesic PAIN THERAPEUTICS, INC. (US) 2014-02-18 — — US disclosed
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A BURNS BARBIER LINDSAY 2010-11-04 — — US disclosed
WO-2010051497-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 HCRTR1 3880/4885HCRTR2 3876/4885LMNA 223/4885
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 HCRTR1 4172/4885HCRTR2 4089/4885LMNA 174/4885
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A FLNA, OPRL1, FLNB HCRTR1 1651/4885HCRTR2 1832/4885LMNA 428/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 HCRTR1 3880/4885HCRTR2 3876/4885LMNA 223/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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